tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine

C53H61F6N7O6S2 — CID 160878817

About tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine

tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine (PubChem CID 160878817) has the molecular formula C53H61F6N7O6S2 and a molecular weight of 1070.24 g/mol. Its IUPAC name is tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine.

Molecular Properties

• Compound Name: tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine
• PubChem CID: 160878817
• Molecular Formula: C53H61F6N7O6S2
• Molecular Weight: 1070.24 g/mol
• Exact Mass: 1069.40
• IUPAC Name: tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine
• SMILES: C1CCNC1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3[nH]2)nc1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3n2C(=O)OC(C)(C)C)nc1
• InChI: InChI=1S/C27H30F3N3O4S.C22H22F3N3O2S.C4H9N/c1-6-13-32(17(2)27(28,29)30)38(35,36)21-11-12-22(31-16-21)24-15-20-10-9-19(18-7-8-18)14-23(20)33(24)25(34)37-26(3,4)5;1-3-10-28(14(2)22(23,24)25)31(29,30)18-8-9-19(26-13-18)21-12-17-7-6-16(15-4-5-15)11-20(17)27-21;1-2-4-5-3-1/h6,9-12,14-18H,1,7-8,13H2,2-5H3;3,6-9,11-15,27H,1,4-5,10H2,2H3;5H,1-4H2/t17-;14-;/m00./s1
• InChIKey: SMTKQWKUNFJOQO-MCXHNFCDSA-N
• XLogP: 12.10
• TPSA: 159.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.24
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine?

The IUPAC name of tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine (CID 160878817) is tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine.

What is the SMILES notation for tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine?

The canonical SMILES for tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine is C1CCNC1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3[nH]2)nc1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3n2C(=O)OC(C)(C)C)nc1.

What is the InChIKey of tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine?

The InChIKey is SMTKQWKUNFJOQO-MCXHNFCDSA-N. The full InChI is InChI=1S/C27H30F3N3O4S.C22H22F3N3O2S.C4H9N/c1-6-13-32(17(2)27(28,29)30)38(35,36)21-11-12-22(31-16-21)24-15-20-10-9-19(18-7-8-18)14-23(20)33(24)25(34)37-26(3,4)5;1-3-10-28(14(2)22(23,24)25)31(29,30)18-8-9-19(26-13-18)21-12-17-7-6-16(15-4-5-15)11-20(17)27-21;1-2-4-5-3-1/h6,9-12,14-18H,1,7-8,13H2,2-5H3;3,6-9,11-15,27H,1,4-5,10H2,2H3;5H,1-4H2/t17-;14-;/m00./s1.

What are the key properties of tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine?

tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine has a molecular weight of 1070.24 g/mol, XLogP of 12.10, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-cyclopropyl-2-[5-[prop-2-enyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-1-carboxylate;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;pyrrolidine is sourced from PubChem (CID 160878817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).